1-(piperidin-1-ylmethyl)piperidine

• ChemBase ID: 109537
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: C1CCN(CC1)CN1CCCCC1
• Canonical SMILES: C1CCN(CC1)CN1CCCCC1
• InChI: InChI=1S/C11H22N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-11H2
• InChIKey: LRKYLKBLUJXTFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-ylmethyl)piperidine
• IUPAC Traditional name: 1-(piperidin-1-ylmethyl)piperidine
• Synonyms: METHYLENEDIPIPERIDINE; 1,1′-Methylenedipiperidine; Dipiperidinomethane; 二哌啶基甲烷; 二哌啶甲烷

Database IDs

• CAS Number: 880-09-1
• EC Number: 212-911-2
• MDL Number: MFCD00006502
• PubChem SID: 162095703
• PubChem CID: 70151

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6805711
• LogD (pH = 7.4): 1.2253695
• Log P: 2.0196471
• Molar Refractivity: 57.1007 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 122-123 °C/15 mmHg(lit.)
• Flash Point: 197 °F; 92 °C
• Density: 0.915 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.482(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Safety Statements: 26-27-28.1-36/37/39

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C11H22N2

DETAILS

MP Biomedicals - 05211493

MP Biomedicals Rare Chemical collection